methyl 3-[(2-ethoxyethanoylamino)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(2-ethoxyethanoylamino)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[(2-ethoxyacetyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[(2-ethoxy-1-oxoethyl)hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2-ethoxyacetyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[(2-ethoxyacetyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)NNC(=S)NC(=O)C1=CC(=CC=C1)C(=O)OC

Isomeric SMILES

CCOCC(=O)NNC(=S)NC(=O)C1=CC(=CC=C1)C(=O)OC

InChI

InChI=1S/C14H17N3O5S/c1-3-22-8-11(18)16-17-14(23)15-12(19)9-5-4-6-10(7-9)13(20)21-2/h4-7H,3,8H2,1-2H3,(H,16,18)(H2,15,17,19,23)